6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide

C19H18ClN3O4S — CID 177140147

IUPAC6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide
SMILESCn1c(C(=O)NC2CCOc3cc(S(N)(=O)=O)ccc32)cc2ccc(Cl)cc21
InChIInChI=1S/C19H18ClN3O4S/c1-23-16-9-12(20)3-2-11(16)8-17(23)19(24)22-15-6-7-27-18-10-13(28(21,25)26)4-5-14(15)18/h2-5,8-10,15H,6-7H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyXDQQFSNQZMBKOV-UHFFFAOYSA-N
MW419.89 g/mol
LogP2.73
Rot. Bonds3

About 6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide

6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide (PubChem CID 177140147) has the molecular formula C19H18ClN3O4S and a molecular weight of 419.89 g/mol. Its IUPAC name is 6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide
PubChem CID177140147
Molecular FormulaC19H18ClN3O4S
Molecular Weight419.89 g/mol
Exact Mass419.07
IUPAC Name6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide
SMILESCn1c(C(=O)NC2CCOc3cc(S(N)(=O)=O)ccc32)cc2ccc(Cl)cc21
InChIInChI=1S/C19H18ClN3O4S/c1-23-16-9-12(20)3-2-11(16)8-17(23)19(24)22-15-6-7-27-18-10-13(28(21,25)26)4-5-14(15)18/h2-5,8-10,15H,6-7H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyXDQQFSNQZMBKOV-UHFFFAOYSA-N
XLogP2.73
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)indole-2-carboxamide
CID 177139990
6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide
CID 177140131
6-chloro-N-[7-(2-hydroxypropan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-4-yl]-1-methylindole-2-carboxamide
CID 177140522
6-chloro-N-(2-cyclopropyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-8-yl)-1-methylindole-2-carboxamide
CID 177140227
6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide
CID 177140466
(4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide
CID 177140251
6-chloro-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-methylindole-2-carboxamide
CID 177140108
6-chloro-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-1-methylindole-2-carboxamide
CID 177140066
6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane
CID 177140219
6-chloro-N-(6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl)-1-methylindole-2-carboxamide
CID 177139941
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide?
The IUPAC name of 6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide (CID 177140147) is 6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide.
What is the SMILES notation for 6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide?
The canonical SMILES for 6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide is Cn1c(C(=O)NC2CCOc3cc(S(N)(=O)=O)ccc32)cc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide?
The InChIKey is XDQQFSNQZMBKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S/c1-23-16-9-12(20)3-2-11(16)8-17(23)19(24)22-15-6-7-27-18-10-13(28(21,25)26)4-5-14(15)18/h2-5,8-10,15H,6-7H2,1H3,(H,22,24)(H2,21,25,26).
What are the key properties of 6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide?
6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide has a molecular weight of 419.89 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide is sourced from PubChem (CID 177140147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).